ethyl 3-[[2-(cyclopropylmethylamino)acetyl]amino]-4-(ethylamino)benzoate;hydrochloride

C17H26ClN3O3 — CID 119672274

IUPACethyl 3-[[2-(cyclopropylmethylamino)acetyl]amino]-4-(ethylamino)benzoate;hydrochloride
SMILESCCNc1ccc(C(=O)OCC)cc1NC(=O)CNCC1CC1.Cl
InChIInChI=1S/C17H25N3O3.ClH/c1-3-19-14-8-7-13(17(22)23-4-2)9-15(14)20-16(21)11-18-10-12-5-6-12;/h7-9,12,18-19H,3-6,10-11H2,1-2H3,(H,20,21);1H
InChIKeyCQNWTAZFKWJEOJ-UHFFFAOYSA-N
MW355.87 g/mol
LogP2.65
Rot. Bonds9

About ethyl 3-[[2-(cyclopropylmethylamino)acetyl]amino]-4-(ethylamino)benzoate;hydrochloride

ethyl 3-[[2-(cyclopropylmethylamino)acetyl]amino]-4-(ethylamino)benzoate;hydrochloride (PubChem CID 119672274) has the molecular formula C17H26ClN3O3 and a molecular weight of 355.87 g/mol. Its IUPAC name is ethyl 3-[[2-(cyclopropylmethylamino)acetyl]amino]-4-(ethylamino)benzoate;hydrochloride.

Molecular Properties

Compound Nameethyl 3-[[2-(cyclopropylmethylamino)acetyl]amino]-4-(ethylamino)benzoate;hydrochloride
PubChem CID119672274
Molecular FormulaC17H26ClN3O3
Molecular Weight355.87 g/mol
Exact Mass355.17
IUPAC Nameethyl 3-[[2-(cyclopropylmethylamino)acetyl]amino]-4-(ethylamino)benzoate;hydrochloride
SMILESCCNc1ccc(C(=O)OCC)cc1NC(=O)CNCC1CC1.Cl
InChIInChI=1S/C17H25N3O3.ClH/c1-3-19-14-8-7-13(17(22)23-4-2)9-15(14)20-16(21)11-18-10-12-5-6-12;/h7-9,12,18-19H,3-6,10-11H2,1-2H3,(H,20,21);1H
InChIKeyCQNWTAZFKWJEOJ-UHFFFAOYSA-N
XLogP2.65
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-(ethylamino)-3-[[2-(methylamino)acetyl]amino]benzoate;hydrochloride
CID 119672270
ethyl 4-(ethylamino)-3-(3-methylbutanoylamino)benzoate
CID 78843297
ethyl 3-[[2-(4-aminophenyl)acetyl]amino]-4-(ethylamino)benzoate;hydrochloride
CID 119672258
ethyl 4-(ethylamino)-3-[(2-thiomorpholin-3-ylacetyl)amino]benzoate
CID 119934972
ethyl 4-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]benzoate;hydrochloride
CID 119746512
3-[[2-(cyclopropylmethylamino)acetyl]amino]-N-ethyl-4-methylbenzamide
CID 60867288
ethyl 3-(2-aminopentanoylamino)-4-(ethylamino)benzoate
CID 119262529
ethyl 4-(ethylamino)-3-[(4-nitrobenzoyl)amino]benzoate
CID 71902522
ethyl 3-bromo-4-[(1-methylpiperidin-4-yl)methylamino]benzoate
CID 62656162
4-[[2-(cyclopropylmethylamino)acetyl]amino]-N,3-dimethylbenzamide
CID 60868336
2-(cyclopropylmethylamino)-N-(2,4-dimethylphenyl)acetamide
CID 54924969
ethyl 3-[[2-(cyclopropylmethylamino)acetyl]amino]-5-methylsulfonylbenzoate;hydrochloride
CID 119814734

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[2-(cyclopropylmethylamino)acetyl]amino]-4-(ethylamino)benzoate;hydrochloride?
The IUPAC name of ethyl 3-[[2-(cyclopropylmethylamino)acetyl]amino]-4-(ethylamino)benzoate;hydrochloride (CID 119672274) is ethyl 3-[[2-(cyclopropylmethylamino)acetyl]amino]-4-(ethylamino)benzoate;hydrochloride.
What is the SMILES notation for ethyl 3-[[2-(cyclopropylmethylamino)acetyl]amino]-4-(ethylamino)benzoate;hydrochloride?
The canonical SMILES for ethyl 3-[[2-(cyclopropylmethylamino)acetyl]amino]-4-(ethylamino)benzoate;hydrochloride is CCNc1ccc(C(=O)OCC)cc1NC(=O)CNCC1CC1.Cl.
What is the InChIKey of ethyl 3-[[2-(cyclopropylmethylamino)acetyl]amino]-4-(ethylamino)benzoate;hydrochloride?
The InChIKey is CQNWTAZFKWJEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3.ClH/c1-3-19-14-8-7-13(17(22)23-4-2)9-15(14)20-16(21)11-18-10-12-5-6-12;/h7-9,12,18-19H,3-6,10-11H2,1-2H3,(H,20,21);1H.
What are the key properties of ethyl 3-[[2-(cyclopropylmethylamino)acetyl]amino]-4-(ethylamino)benzoate;hydrochloride?
ethyl 3-[[2-(cyclopropylmethylamino)acetyl]amino]-4-(ethylamino)benzoate;hydrochloride has a molecular weight of 355.87 g/mol, XLogP of 2.65, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[2-(cyclopropylmethylamino)acetyl]amino]-4-(ethylamino)benzoate;hydrochloride is sourced from PubChem (CID 119672274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).